CID 116987083

Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC(C)(C1=NC=CS1)C(=O)OC
InChI
InChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3
InChIKey
YIILUFDXAKNGKX-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.05106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 140.3
[M+Na]+ 208.04028 148.9
[M-H]- 184.04378 143.2
[M+NH4]+ 203.08488 161.4
[M+K]+ 224.01422 147.9
[M+H-H2O]+ 168.04832 134.8
[M+HCOO]- 230.04926 157.6
[M+CH3COO]- 244.06491 178.5
[M+Na-2H]- 206.02573 142.8
[M]+ 185.05051 144.4
[M]- 185.05161 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe